Geometry & MOs

Info

ID:	32539
PubChem CID:	7842725
Reduced:	S2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	139.48
Dipole, Da:	1.98
IP(EA), eV:	-8.48(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations